SCHEMBL6212150

SCHEMBL6212150

CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cc(Cl)ccc4OCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1N

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 18/20 0.87
ADORA1 P30542 3/20 0.73
ADORA2A P29274 1/20 0.58
ADORA2B P29275 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6212503 0.93 ADORA3 (1.00) ADORA3ADORA1
SCHEMBL6212164 0.91 ADORA3 (0.81) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6216014 0.90 ADORA3 (0.84) ADORA3ADORA1
SCHEMBL6217410 0.90 ADORA3 (0.91) ADORA3ADORA1
SCHEMBL6213793 0.90 ADORA3 (1.00) ADORA3ADORA1
SCHEMBL6213806 0.90 ADORA3 (1.00) ADORA3ADORA1
SCHEMBL6214457 0.89 ADORA3 (0.92) ADORA3ADORA1
SCHEMBL6211758 0.89 ADORA3 (1.00) ADORA3ADORA1ADORA2A
SCHEMBL6216378 0.89 ADORA3 (0.86) ADORA3ADORA1
SCHEMBL6211242 0.89 ADORA3 (0.86) ADORA3ADORA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 EP disclosed
US-6803457-B1 ADENOSINE RECEPTORS; FOR REDUCTION OF TISSUE DAMAGE RESULTING FROM HYPOXIA/CARDIOVASCULAR DISORDERS IN MAMMALS/HUMANS PFIZER, INC. 2004-10-12 US disclosed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 US disclosed
EP-1216257-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2002-06-26 EP disclosed
WO-2001023399-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 2001-04-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 ADORA3 26/4885ADORA1 227/4885ADORA2A 87/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.